1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea

C11H24N2O2S — CID 103603991

IUPAC1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea
SMILESCOCCOCCCNC(=S)NCC(C)C
InChIInChI=1S/C11H24N2O2S/c1-10(2)9-13-11(16)12-5-4-6-15-8-7-14-3/h10H,4-9H2,1-3H3,(H2,12,13,16)
InChIKeyVUNHHCCBFYAEKA-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.16
Rot. Bonds9

About 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea

1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea (PubChem CID 103603991) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea
PubChem CID103603991
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea
SMILESCOCCOCCCNC(=S)NCC(C)C
InChIInChI=1S/C11H24N2O2S/c1-10(2)9-13-11(16)12-5-4-6-15-8-7-14-3/h10H,4-9H2,1-3H3,(H2,12,13,16)
InChIKeyVUNHHCCBFYAEKA-UHFFFAOYSA-N
XLogP1.16
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
1-(2,2-difluoroethyl)-3-(3-methoxypropyl)thiourea
CID 115667334
1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115595506
1-[2-(2-methoxyethoxy)ethyl]-3-propan-2-ylthiourea
CID 115583442
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
N-[3-(2-methoxyethoxy)propyl]acetamide
CID 60668585
1-(2,3-dimethylbutyl)-3-(2-methoxyethyl)thiourea
CID 115642325
1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115583597
1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 5061824
1-(2,2-difluoroethyl)-3-(3-ethoxypropyl)thiourea
CID 115667333
1-[3-(2-methoxyethoxy)propyl]-2-(2-methylpropyl)guanidine
CID 103646279
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea?
The IUPAC name of 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea (CID 103603991) is 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea is COCCOCCCNC(=S)NCC(C)C.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea?
The InChIKey is VUNHHCCBFYAEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-10(2)9-13-11(16)12-5-4-6-15-8-7-14-3/h10H,4-9H2,1-3H3,(H2,12,13,16).
What are the key properties of 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea?
1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea has a molecular weight of 248.39 g/mol, XLogP of 1.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propyl]-3-(2-methylpropyl)thiourea is sourced from PubChem (CID 103603991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).